1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide

C18H16ClN3O — CID 147878189

IUPAC1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCC1)c1cc2cccnc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c19-13-6-8-15(9-7-13)22-16(18(23)21-14-4-1-5-14)11-12-3-2-10-20-17(12)22/h2-3,6-11,14H,1,4-5H2,(H,21,23)
InChIKeyHZXPWAAEESWJBV-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.96
Rot. Bonds3

About 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide

1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 147878189) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID147878189
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC1CCC1)c1cc2cccnc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c19-13-6-8-15(9-7-13)22-16(18(23)21-14-4-1-5-14)11-12-3-2-10-20-17(12)22/h2-3,6-11,14H,1,4-5H2,(H,21,23)
InChIKeyHZXPWAAEESWJBV-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide (CID 147878189) is 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide is O=C(NC1CCC1)c1cc2cccnc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is HZXPWAAEESWJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-13-6-8-15(9-7-13)22-16(18(23)21-14-4-1-5-14)11-12-3-2-10-20-17(12)22/h2-3,6-11,14H,1,4-5H2,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide?
1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 325.80 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclobutylpyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 147878189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).